Geometry & MOs

Info

ID:	29022
PubChem CID:	831166
Reduced:	ClNOH10C12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	309.98407
ΔH_f, kcal/mol:	22.64
Dipole, Da:	2.75
IP(EA), eV:	-9.0(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-bromo-2-(2-oxopropyl)-4-phenoxy-2H-furan-5-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)N=CC2=CC=CO2

DOS

IR

Vibrations